(1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine

C11H15Br2N — CID 130641493

IUPAC(1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine
SMILESCC(C)C[C@H](N)c1ccc(Br)c(Br)c1
InChIInChI=1S/C11H15Br2N/c1-7(2)5-11(14)8-3-4-9(12)10(13)6-8/h3-4,6-7,11H,5,14H2,1-2H3/t11-/m0/s1
InChIKeyNKKFFOHLYBEVQD-NSHDSACASA-N
MW321.06 g/mol
LogP4.26
Rot. Bonds3

About (1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine

(1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine (PubChem CID 130641493) has the molecular formula C11H15Br2N and a molecular weight of 321.06 g/mol. Its IUPAC name is (1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine
PubChem CID130641493
Molecular FormulaC11H15Br2N
Molecular Weight321.06 g/mol
Exact Mass318.96
IUPAC Name(1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine
SMILESCC(C)C[C@H](N)c1ccc(Br)c(Br)c1
InChIInChI=1S/C11H15Br2N/c1-7(2)5-11(14)8-3-4-9(12)10(13)6-8/h3-4,6-7,11H,5,14H2,1-2H3/t11-/m0/s1
InChIKeyNKKFFOHLYBEVQD-NSHDSACASA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.06
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-amino-3-methylbutyl)-2-bromophenol
CID 130825484
(1R)-1-(3,4-dibromophenyl)-4-methylpentan-1-amine
CID 171215462
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096
4-[(1S)-1-amino-3-methylbutyl]-2,6-dibromophenol
CID 131413389
(1S)-1-(3,4-dibromophenyl)butan-1-amine
CID 130739510
(1R)-1-(3,4-dibromophenyl)butan-1-amine
CID 130673463
1-(3-bromo-4-propoxyphenyl)-3-methylbutan-1-amine
CID 113438084
2-amino-2-(3,4-dibromophenyl)ethanol
CID 77130608
(2R)-2-amino-2-(3,4-dibromophenyl)ethanol
CID 66515811
(1S)-1-(3,4-dibromophenyl)-2-methoxyethanamine
CID 130739602
(1S)-1-(3,4-dibromophenyl)hexan-1-amine
CID 171235073
1-(3,4-dichlorophenyl)-3-methylbutan-1-amine
CID 43344490

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine?
The IUPAC name of (1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine (CID 130641493) is (1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine.
What is the SMILES notation for (1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine?
The canonical SMILES for (1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine is CC(C)C[C@H](N)c1ccc(Br)c(Br)c1.
What is the InChIKey of (1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine?
The InChIKey is NKKFFOHLYBEVQD-NSHDSACASA-N. The full InChI is InChI=1S/C11H15Br2N/c1-7(2)5-11(14)8-3-4-9(12)10(13)6-8/h3-4,6-7,11H,5,14H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine?
(1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine has a molecular weight of 321.06 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 130641493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).